| SpectraBase Compound ID | CyqejWrp2kH |
|---|---|
| InChI | InChI=1S/C16H22O5/c1-3-4-5-9-20-15(17)13-7-6-8-14(12-13)16(18)21-11-10-19-2/h6-8,12H,3-5,9-11H2,1-2H3 |
| InChIKey | HYJIBIFRLBETND-UHFFFAOYSA-N |
| Mol Weight | 294.35 g/mol |
| Molecular Formula | C16H22O5 |
| Exact Mass | 294.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Banek9cbBX |
|---|---|
| Name | Isophthalic acid, 2-methoxyethyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.146723803 u |
| Formula | C16H22O5 |
| InChI | InChI=1S/C16H22O5/c1-3-4-5-9-20-15(17)13-7-6-8-14(12-13)16(18)21-11-10-19-2/h6-8,12H,3-5,9-11H2,1-2H3 |
| InChIKey | HYJIBIFRLBETND-UHFFFAOYSA-N |
| Molecular Weight | 294.347 g/mol |
| SMILES | C(C1=CC(=CC=C1)C(OCCOC)=O)(OCCCCC)=O |